SCHEMBL9174342

SCHEMBL9174342

O=c1[nH]c(=O)c2[nH]c1c1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.48
CHEK1 O14757 2/20 0.48
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
TNKS2 Q9H2K2 2/20 0.46
GPR3 P46089 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
TNKS O95271 1/20 0.46
CYP1A2 P05177 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP15 Q460N3 1/20 0.46
S100A4 P26447 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5712104 0.78 ALDH1A1 (0.50) PARP1KDM4EALDH1A1LMNATNKS2
SCHEMBL30929926 0.78 PARP1 (0.59) PARP1CHEK1KDM4EALDH1A1LMNA
SCHEMBL17503360 0.78 PARP1 (0.59) PARP1CHEK1KDM4EALDH1A1LMNA
SCHEMBL3081936 0.77 PARP1 (0.71) PARP1KDM4EALDH1A1LMNATNKS2
SCHEMBL1133100 0.74 KDM4E (0.48) PARP1CHEK1KDM4EALDH1A1LMNA
SCHEMBL10615469 0.72 CHEK1 (0.59) PARP1CHEK1KDM4EALDH1A1LMNA
SCHEMBL276618 0.72 CHEK1 (0.59) PARP1CHEK1KDM4EALDH1A1LMNA
SCHEMBL3648454 0.70 S100A4 (0.48) PARP1CHEK1KDM4EALDH1A1LMNA
SCHEMBL3650203 0.70 S100A4 (0.48) PARP1CHEK1KDM4EALDH1A1LMNA
SCHEMBL30250198 0.70 S100A4 (0.48) PARP1CHEK1KDM4EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168949-B2 Microbiocidal compositions and processes for imparting microbiocidal properties to polymer compositions THIOKOL MORTON INC (US) 1995-06-14 EP claimed
EP-0168949-B1 MICROBIOCIDAL COMPOSITIONS AND PROCESSES FOR IMPARTING MICROBIOCIDAL PROPERTIES TO POLYMER COMPOSITIONS MORTON THIOKOL, INC. (US) 1989-12-27 EP claimed